Geometry & MOs

Info

ID:	418039
PubChem CID:	135103363
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	421.295394
ΔH_f, kcal/mol:	-72.86
Dipole, Da:	1.22
IP(EA), eV:	-9.39(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CCOCC(=O)N1CCCC2(C1)CCC3=CN=C(N=C23)C

DOS

IR

Vibrations